Exact Mass: 613.317198
Exact Mass Matches: 613.317198
Found 59 metabolites which its exact mass value is equals to given mass value 613.317198,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
3beta-hydroxynorerythrosuamine 3-O-beta-D-glucopyranoside hydrochloride
3beta-hydroxynorerythrosuamine 3-O-beta-D-glucopyranoside hydrochloride
13,15-dideoxyaconitine
[(1R,2S,3S,4R,5R,6R,8S,9S,13S,14S,17R,18S)-8-Acetyloxy-11-ethyl-14-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
13,15-Dideoxyaconitine Chemical Name: 13,15-Dideoxyaconitine Alternative Name: 13,15-Bisdeoxyaconitine Chemical Formula: C34H47NO9 Molecular Weight: 613.74 g/mol CAS Number: 77757-14-3 Classification: 13,15-Dideoxyaconitine is a type of alkaloid, specifically a derivative of aconitine. It belongs to the class of organic compounds known as diterpenoid alkaloids, which are characterized by a complex structure derived from diterpenes. Source: This compound is naturally occurring and is extracted from the plant Aconitum sungpanense, commonly known as Sungpan aconite. Chemical Structure: The structure of 13,15-Dideoxyaconitine features a diterpenoid backbone with oxygenated functional groups, including hydroxyl and acetate esters. The specific arrangement of these groups contributes to its unique pharmacological properties. Properties: Physical State: Typically found as a crystalline solid. Solubility: Soluble in organic solvents such as ethanol and chloroform. Melting Point: The exact melting point is not readily available, but it is known to decompose at high temperatures. Pharmacological Activity: 13,15-Dideoxyaconitine exhibits a range of biological activities, including analgesic and anti-inflammatory effects. However, due to its structural similarity to other aconitine alkaloids, it is also potentially toxic and should be handled with caution. Applications: While primarily of interest in scientific research, particularly in the study of alkaloids and their pharmacological effects, 13,15-Dideoxyaconitine may have potential applications in pharmaceuticals for its analgesic properties. Safety Notes: This compound is toxic and should be handled by trained professionals using appropriate safety equipment. It is not intended for human consumption.
Ile Arg Tyr Tyr
(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanoic acid
Ile Tyr Arg Tyr
(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanoic acid
Ile Tyr Tyr Arg
(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanoic acid
Leu Arg Tyr Tyr
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanoic acid
Leu Tyr Arg Tyr
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanoic acid
Leu Tyr Tyr Arg
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanoic acid
Arg Ile Tyr Tyr
(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-methylpentanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanoic acid
Arg Leu Tyr Tyr
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-4-methylpentanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanoic acid
Arg Tyr Ile Tyr
(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]-3-(4-hydroxyphenyl)propanoic acid
Arg Tyr Leu Tyr
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]-4-methylpentanamido]-3-(4-hydroxyphenyl)propanoic acid
Arg Tyr Tyr Ile
(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylpentanoic acid
Arg Tyr Tyr Leu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-4-methylpentanoic acid
Tyr Ile Arg Tyr
(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanoic acid
Tyr Ile Tyr Arg
(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanoic acid
Tyr Leu Arg Tyr
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-methylpentanamido]-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanoic acid
Tyr Leu Tyr Arg
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-methylpentanamido]-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanoic acid
Tyr Arg Ile Tyr
(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido]-3-methylpentanamido]-3-(4-hydroxyphenyl)propanoic acid
Tyr Arg Leu Tyr
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido]-4-methylpentanamido]-3-(4-hydroxyphenyl)propanoic acid
Tyr Arg Tyr Ile
(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylpentanoic acid
Tyr Arg Tyr Leu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]-4-methylpentanoic acid
Tyr Tyr Ile Arg
(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]-5-carbamimidamidopentanoic acid
Tyr Tyr Leu Arg
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-4-methylpentanamido]-5-carbamimidamidopentanoic acid
Tyr Tyr Arg Ile
(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido]-3-methylpentanoic acid
Tyr Tyr Arg Leu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido]-4-methylpentanoic acid
5-[4,5-DIHYDRO-5-OXO-3-[(1-OXOOCTADECYL)AMINO]-1H-PYRAZOL-1-YL]-2-PHENOXY-BENZENESULFONIC ACID
5-[4,5-DIHYDRO-5-OXO-3-[(1-OXOOCTADECYL)AMINO]-1H-PYRAZOL-1-YL]-2-PHENOXY-BENZENESULFONIC ACID
N-(2-aminophenyl)-4-[[[(2R,3S)-9-[[cyclopropyl(oxo)methyl]amino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzamide
N-(2-aminophenyl)-4-[[[(2R,3S)-9-[[cyclopropyl(oxo)methyl]amino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzamide
N-(2-aminophenyl)-4-[[[(2S,3R)-9-[[cyclopropyl(oxo)methyl]amino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzamide
N-(2-aminophenyl)-4-[[[(2S,3R)-9-[[cyclopropyl(oxo)methyl]amino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzamide
N-(2-aminophenyl)-4-[[[(2R,3R)-9-[[cyclopropyl(oxo)methyl]amino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzamide
N-(2-aminophenyl)-4-[[[(2R,3R)-9-[[cyclopropyl(oxo)methyl]amino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzamide
N-(2-aminophenyl)-4-[[[(2R,3S)-9-[[cyclopropyl(oxo)methyl]amino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzamide
N-(2-aminophenyl)-4-[[[(2R,3S)-9-[[cyclopropyl(oxo)methyl]amino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzamide
N-(2-aminophenyl)-4-[[[(2S,3R)-9-[[cyclopropyl(oxo)methyl]amino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzamide
N-(2-aminophenyl)-4-[[[(2S,3R)-9-[[cyclopropyl(oxo)methyl]amino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzamide
methyl (1r,2s,4ar,4bs,7e,8r,8as,9r,10ar)-9-hydroxy-7-{[(2-hydroxyethyl)(methyl)carbamoyl]methylidene}-1,4a,8-trimethyl-10-oxo-2-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-decahydrophenanthrene-1-carboxylate
methyl (1r,2s,4ar,4bs,7e,8r,8as,9r,10ar)-9-hydroxy-7-{[(2-hydroxyethyl)(methyl)carbamoyl]methylidene}-1,4a,8-trimethyl-10-oxo-2-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-decahydrophenanthrene-1-carboxylate
3-(4-{15-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-1-hydroxy-12,14,16-trimethylheptadeca-2,4,6,8,10,12-hexaen-1-ylidene}-1-methyl-3,5-dioxopyrrolidin-2-yl)propanoic acid
3-(4-{15-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-1-hydroxy-12,14,16-trimethylheptadeca-2,4,6,8,10,12-hexaen-1-ylidene}-1-methyl-3,5-dioxopyrrolidin-2-yl)propanoic acid
{2,12-dihydroxy-4-[3-hydroxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl}acetic acid
{2,12-dihydroxy-4-[3-hydroxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl}acetic acid
methyl (1r,2s,4ar,4bs,7e,8r,8as,9r,10ar)-9-hydroxy-1,4a,8-trimethyl-7-{2-[2-(methylamino)ethoxy]-2-oxoethylidene}-10-oxo-2-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-decahydrophenanthrene-1-carboxylate
methyl (1r,2s,4ar,4bs,7e,8r,8as,9r,10ar)-9-hydroxy-1,4a,8-trimethyl-7-{2-[2-(methylamino)ethoxy]-2-oxoethylidene}-10-oxo-2-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-decahydrophenanthrene-1-carboxylate
(1s,2r,3r,4r,5s,6s,8r,9r,10r,13s,16s,17r,18r)-8-(acetyloxy)-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate
(1s,2r,3r,4r,5s,6s,8r,9r,10r,13s,16s,17r,18r)-8-(acetyloxy)-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate
(1s,2r,3r,4s,5s,6s,8r,9r,10r,13s,16r,17r,18r)-8-(acetyloxy)-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate
(1s,2r,3r,4s,5s,6s,8r,9r,10r,13s,16r,17r,18r)-8-(acetyloxy)-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate
3-[(2r)-4-[(2e,4e,6e,8z,10z,12e,14r,15s)-15-{[(2r,4r,5r,6r)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-12,14,16-trimethylheptadeca-2,4,6,8,10,12-hexaenoyl]-3-hydroxy-1-methyl-5-oxo-2h-pyrrol-2-yl]propanoic acid
3-[(2r)-4-[(2e,4e,6e,8z,10z,12e,14r,15s)-15-{[(2r,4r,5r,6r)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-12,14,16-trimethylheptadeca-2,4,6,8,10,12-hexaenoyl]-3-hydroxy-1-methyl-5-oxo-2h-pyrrol-2-yl]propanoic acid
3-{4-[(2e,4e,6e,8e,10e,12e)-15-{[(2s,4s,5s,6r)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-12,14,16-trimethylheptadeca-2,4,6,8,10,12-hexaenoyl]-5-hydroxy-1-methyl-3-oxo-2h-pyrrol-2-yl}propanoic acid
3-{4-[(2e,4e,6e,8e,10e,12e)-15-{[(2s,4s,5s,6r)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-12,14,16-trimethylheptadeca-2,4,6,8,10,12-hexaenoyl]-5-hydroxy-1-methyl-3-oxo-2h-pyrrol-2-yl}propanoic acid
methyl 9-hydroxy-1,4a,8-trimethyl-7-{2-[2-(methylamino)ethoxy]-2-oxoethylidene}-10-oxo-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-decahydrophenanthrene-1-carboxylate
methyl 9-hydroxy-1,4a,8-trimethyl-7-{2-[2-(methylamino)ethoxy]-2-oxoethylidene}-10-oxo-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-decahydrophenanthrene-1-carboxylate
3-[(4z)-4-[(2e,4e,6e,8e,10e,12e)-15-{[(2s,4s,5s,6r)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-1-hydroxy-12,14,16-trimethylheptadeca-2,4,6,8,10,12-hexaen-1-ylidene]-1-methyl-3,5-dioxopyrrolidin-2-yl]propanoic acid
3-[(4z)-4-[(2e,4e,6e,8e,10e,12e)-15-{[(2s,4s,5s,6r)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-1-hydroxy-12,14,16-trimethylheptadeca-2,4,6,8,10,12-hexaen-1-ylidene]-1-methyl-3,5-dioxopyrrolidin-2-yl]propanoic acid
methyl 9-hydroxy-7-{[(2-hydroxyethyl)(methyl)carbamoyl]methylidene}-1,4a,8-trimethyl-10-oxo-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-decahydrophenanthrene-1-carboxylate
methyl 9-hydroxy-7-{[(2-hydroxyethyl)(methyl)carbamoyl]methylidene}-1,4a,8-trimethyl-10-oxo-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-decahydrophenanthrene-1-carboxylate
[(1r,2s,4s,7e,10r,12r,13r,14e,16r)-2,12-dihydroxy-4-[(2r,3r,4e,6e,8e)-3-hydroxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl]acetic acid
[(1r,2s,4s,7e,10r,12r,13r,14e,16r)-2,12-dihydroxy-4-[(2r,3r,4e,6e,8e)-3-hydroxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl]acetic acid
3-[(2r)-4-[(2e,4e,6e,8z,10z,12e,14r,15s)-15-{[(2r,4r,5r,6r)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-1-hydroxy-12,14,16-trimethylheptadeca-2,4,6,8,10,12-hexaen-1-ylidene]-1-methyl-3,5-dioxopyrrolidin-2-yl]propanoic acid
3-[(2r)-4-[(2e,4e,6e,8z,10z,12e,14r,15s)-15-{[(2r,4r,5r,6r)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-1-hydroxy-12,14,16-trimethylheptadeca-2,4,6,8,10,12-hexaen-1-ylidene]-1-methyl-3,5-dioxopyrrolidin-2-yl]propanoic acid
8-(acetyloxy)-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate
8-(acetyloxy)-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate
